9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole

C57H39NS — CID 174371137

IUPAC9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole
SMILESc1ccc(-c2ccc(C3CCc4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C57H39NS/c1-3-13-37(14-4-1)38-23-25-40(26-24-38)45-30-27-39-15-7-8-18-44(39)49-35-42(28-31-46(45)49)43-29-32-52-50(36-43)47-19-9-11-21-51(47)58(52)53-33-34-55-57(48-20-10-12-22-54(48)59-55)56(53)41-16-5-2-6-17-41/h1-26,28-29,31-36,45H,27,30H2
InChIKeyHWEIRVIBGSYJRE-UHFFFAOYSA-N
MW770.01 g/mol
LogP15.90
Rot. Bonds5

About 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole

9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole (PubChem CID 174371137) has the molecular formula C57H39NS and a molecular weight of 770.01 g/mol. Its IUPAC name is 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole.

Molecular Properties

Compound Name9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole
PubChem CID174371137
Molecular FormulaC57H39NS
Molecular Weight770.01 g/mol
Exact Mass769.28
IUPAC Name9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole
SMILESc1ccc(-c2ccc(C3CCc4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5-c5ccccc5)ccc43)cc2)cc1
InChIInChI=1S/C57H39NS/c1-3-13-37(14-4-1)38-23-25-40(26-24-38)45-30-27-39-15-7-8-18-44(39)49-35-42(28-31-46(45)49)43-29-32-52-50(36-43)47-19-9-11-21-51(47)58(52)53-33-34-55-57(48-20-10-12-22-54(48)59-55)56(53)41-16-5-2-6-17-41/h1-26,28-29,31-36,45H,27,30H2
InChIKeyHWEIRVIBGSYJRE-UHFFFAOYSA-N
XLogP15.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.01
LogP ≤ 515.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
CID 174371073
9-[2-(3-dibenzothiophen-1-ylphenyl)phenyl]-3-phenylcarbazole
CID 166037348
9-(8-dibenzothiophen-1-yldibenzothiophen-1-yl)-3,6-diphenylcarbazole
CID 170278932
9-[4-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)phenyl]-3-triphenylen-2-ylcarbazole
CID 131969711
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
9-dibenzothiophen-1-yl-3-(9-dibenzothiophen-1-ylcarbazol-3-yl)carbazole
CID 90294485
14-(10-pentacyclo[10.8.1.02,7.08,21.013,18]henicosa-2,4,6,8,10,12(21),13,15,17-nonaenyl)-5-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8(19),9,11,13,15,17-nonaene
CID 166874979
9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
9-(9-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole;9-(9-dibenzothiophen-2-yldibenzothiophen-4-yl)-3,6-diphenylcarbazole
CID 158837485
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
3-dibenzothiophen-1-yl-9-dibenzothiophen-4-yl-6-phenylcarbazole
CID 163571308

Frequently Asked Questions

What is the IUPAC name of 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole?
The IUPAC name of 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole (CID 174371137) is 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole.
What is the SMILES notation for 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole?
The canonical SMILES for 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole is c1ccc(-c2ccc(C3CCc4ccccc4-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc6sc7ccccc7c6c5-c5ccccc5)ccc43)cc2)cc1.
What is the InChIKey of 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole?
The InChIKey is HWEIRVIBGSYJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39NS/c1-3-13-37(14-4-1)38-23-25-40(26-24-38)45-30-27-39-15-7-8-18-44(39)49-35-42(28-31-46(45)49)43-29-32-52-50(36-43)47-19-9-11-21-51(47)58(52)53-33-34-55-57(48-20-10-12-22-54(48)59-55)56(53)41-16-5-2-6-17-41/h1-26,28-29,31-36,45H,27,30H2.
What are the key properties of 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole?
9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole has a molecular weight of 770.01 g/mol, XLogP of 15.90, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-phenyldibenzothiophen-2-yl)-3-[8-(4-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]carbazole is sourced from PubChem (CID 174371137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).